requirements.txt correction - #78
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Removed several NVIDIA packages for Python 3.10-3.13 compatibility on Linux.
Updated core application dependencies and removed older versions.
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Pull Request Test Coverage Report for Build 20043989975Details
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Pull Request Test Coverage Report for Build 20079158090Details
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MC3D structures are queried now directly from their database using their OPTIMADE API. Also error with supecell is corrected (ML prediction should be done on the primitive cell), when kmesh is calculated from this value of k-points distance and the true size of the unit cell (any supercell size) |
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